ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzoate CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO5S/c1-2-24-20(23)15-6-3-4-7-16(15)21-19(22)13-27-14-8-9-17-18(12-14)26-11-5-10-25-17/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,21,22)